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Many different types of scoring function are available. These can be classified as follows  [Pg.85]

Clearly there is overlap among the methods, and it is certainly beneficial to use all reliable methods simultaneously. Thus we turn to the different types of function that have been used for scoring in high throughput situations. [Pg.86]

General indicators of the potential utility of a design have been used often in de novo design programs, These indicators evaluate many [Pg.86]

In Bohm s method, the free energy of binding is written as  [Pg.87]

One of the most common methods for assessing the quality of structures from de novo design programs is to use intermolecular energies derived from [Pg.88]


Current spreadsheet programs contain many advanced capabiUties and enhancements that an engineer might want to use they also offer improved performance, interfaces to data base and word-processing programs and have a host of other features. A good overview that describes the features and presents what is available in each of the latest spreadsheet packages on the market is available (78). [Pg.85]

General In comparison with design information on blowdown drums and cyclone separators, there is very httle information in the open technical hterature on the design of quench tanks in the Chernies industry. What is available deSs with the design of quench tanks (Sso called suppression pools) for condensation of steam or steam-water mixtures from nuclear reactor safety vSves. Information and criteria from quench tanks in the nuclear industry can be used for the design of quench tanks in the chemicS industry. There have been sev-... [Pg.2298]

If not available and the driver is a motor, the local electrical engineers may be coerced into procuring accurate current (CT) and potential (PT) transformers to permit the use of watt meters. The everyday plant CTs and PTs aren t suitable for a quantitative field test. When having to solve a compressor s performance, one will use what is available, but only because it is expedient. [Pg.434]

The plant engineer will need to familiarize himself with what is available in all these categories so that he may make the most appropriate equipment selection. He will also need to be familiar with what to expect from his instrumentation both in terms of accuracy and in order to know how to interpret the information correctly. [Pg.232]

Worldwide suppliers with bioengineering capabilities are displacing established polymers with cost-effective and higher performing plastics. An explosion of novel polymers has been made by enzymatic control. The use of enzymes for polymerization has drastically altered the landscape of polymer chemistry. Processors can request specific properties for each application as opposed to the usual making do with what is available. The supplier can deliver to the processor desired properties requested. [Pg.373]

Plastics are families of materials each with their own special advantages. The major consideration for a designer is to analyze what is required as regards to performances and develop a logical selection procedure from what is available. [Pg.374]

Besides doing a relatively fast, efficient materials search on what is available today,... [Pg.413]

What is available to find out the conditions ensuring the validity of formula (7) is the function... [Pg.330]

Limited amounts of other chemical and physical property data have been reported in the literature for diamondoids [5, 9-30]. What is available is mostly for low molecular weight diamondoids. In what follows we report and analyze a selection of the available property data for diamondoids. [Pg.212]

Little data is reported on tetra-, penta-, and hexamantane and other higher diamondoids. What is available is compiled by ChevronTexaco scientists as reported in Table I. This is possibly due to the fact that of these compounds only anti-tetramantane has been successfully synthesized in the laboratory in small quantities [32, 33]. [Pg.217]

What follows is an examination of the typical biocidal chemistries used in metalworking fluids. The list is by no means exhaustive, but should give a flavour of what is available and the advantages and disadvantages of certain chemistries. [Pg.115]

There are many other pieces of processing software out there, some good, some bad. If you don t have any and you need some, it is worth having a look around to see what is available. In our experience, you tend to get what you pay for and the more expensive software is generally better. However, one of the cheaper packages may do just what you want, in which case you have a bargain Table 14.1 lists some of the more well known packages. [Pg.168]

Bioavailability issues have been reviewed previously (Mihelcic etal. 1993 Boesten 1993 Baveye and Bladon 1999 Ehlers and Luthy 2003). In this review, we discuss specifically the bioavailability of soil- or sediment-sorbed organic contaminants to pollutant-degrading bacteria. Direct uptake of sorbed contaminants is perhaps the most controversial and least understood process. The definition of bioavailability given by Alexander (2000) will be used in this review. The term bioaccessibility encompasses what is immediately available plus that which may become available, whereas bioavailability refers to what is available immediately. [Pg.261]

Direct behavioral evidence of how stored-product insects move among patches is limited, but what is available shows that stored-product pests readily leave patches of food, can find and exploit multiple patches, and that these processes are influenced by a variety of endogenous and exogenous factors. The time Cryptolestes ferrugineus spent in refugia has been shown to be influenced by strain, sex, and age (Cox and Parish, 1991 Cox et al., 1989, 1990). A variety of factors have been shown to influence the decision by red flour beetles to leave food patches, including insect density... [Pg.253]

Could we have avoided the convention of A II° = 0 for the elements in their standard reference states Although this assumption brings no trouble, because we always deal with energy or enthalpy changes, it is interesting to point out that in principle we could use Einstein s relationship E = me2 to calculate the absolute energy content of each molecule in reaction 2.2 and derive ArH° from the obtained AE. However, this would mean that each molar mass would have to be known with tremendous accuracy—well beyond what is available today. In fact, the enthalpy of reaction 2.2, -492.5 kJ mol-1 (see following discussion) leads to Am = AE/c2 of approximately -5.5 x 10-9 g mol-1. Hence, for practical purposes, Lavoisier s mass conservation law is still valid. [Pg.10]

List of what is available, where it is obtained, and how much is available... [Pg.151]

The most common separators include the Ryhage or jet diffusion separator (74), the Watson-Biemann or pore diffusion separator (75), and the membrane solution diffusion separator originally developed by Llewellyn (75). The first two separators involve direct passage of the sample into the mass spectrometer the low molecular weight helium diffuses more readily and is pumped away. The membrane separator involves diffusion of the sample through a silicone membrane while the carrier gas vents to the atmosphere carrier gas is thus not confined to helium. There is no best separator the choice depends on the nature of the compounds, the temperature range over which it will be operated, and most usually what is available in a particular laboratory. A convenient configuration for a double-beam mass spectrometer such as the AEI MS-30 is two different separators, one into each beam, which permits rapid evaluation of separator performance. [Pg.237]

The trend must be to reduce the off-axis angle. Fortunately, if we peek at what has happened previously in the Si and GaAs worlds, the standard was to use off-axis substrates initially, but as the material quality improved, the need for off-axis substrates was reduced and on-axis substrates are now used for epitaxy. This is likely going to be the trend in SiC too. The need for better epitaxial procedures and higher-quality substrates than what is available today is important. [Pg.14]


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